7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C14H20N4S — CID 102686960

IUPAC7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3(C)CCNCC3)ncnc12
InChIInChI=1S/C14H20N4S/c1-10-7-19-12-11(10)17-9-18-13(12)16-8-14(2)3-5-15-6-4-14/h7,9,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeySKMKZQVKOHRFPE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.80
Rot. Bonds3

About 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686960) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID102686960
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3(C)CCNCC3)ncnc12
InChIInChI=1S/C14H20N4S/c1-10-7-19-12-11(10)17-9-18-13(12)16-8-14(2)3-5-15-6-4-14/h7,9,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeySKMKZQVKOHRFPE-UHFFFAOYSA-N
XLogP2.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 102686960) is 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCC3(C)CCNCC3)ncnc12.
What is the InChIKey of 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SKMKZQVKOHRFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-7-19-12-11(10)17-9-18-13(12)16-8-14(2)3-5-15-6-4-14/h7,9,15H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(4-methylpiperidin-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).